ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate

C13H16N4O2S — CID 103379481

IUPACethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)Cc1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-3-19-13(18)10-11(14)16-20-12(10)17(2)8-9-6-4-5-7-15-9/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyANNRBIJDUCHJIT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.93
Rot. Bonds5

About ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103379481) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103379481
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Nameethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)Cc1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-3-19-13(18)10-11(14)16-20-12(10)17(2)8-9-6-4-5-7-15-9/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyANNRBIJDUCHJIT-UHFFFAOYSA-N
XLogP1.93
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380609
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383364
3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383507
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384742
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103509011
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate (CID 103379481) is ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(C)Cc1ccccn1.
What is the InChIKey of ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is ANNRBIJDUCHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-19-13(18)10-11(14)16-20-12(10)17(2)8-9-6-4-5-7-15-9/h4-7H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).